SCHEMBL1301560

SCHEMBL1301560

COc1nc2c(cc1NCc1cc(F)ccc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.45
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DPP4 P27487 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1301563 1.00 METTL3 (0.45) METTL3JAK2JAK1JAK3GSK3B
SCHEMBL1300638 0.94 METTL3 (0.43) METTL3JAK3GSK3BPIM1KDM4E
SCHEMBL1300644 0.94 METTL3 (0.43) METTL3JAK3GSK3BPIM1KDM4E
SCHEMBL1301270 0.91 METTL3 (0.47) METTL3GSK3BKDM4EASPHKDM8
SCHEMBL1301276 0.91 METTL3 (0.47) METTL3GSK3BKDM4EASPHKDM8
SCHEMBL1300298 0.91 METTL3 (0.43) METTL3GSK3BLMNA
SCHEMBL1300295 0.91 METTL3 (0.43) METTL3GSK3BLMNA
SCHEMBL1301826 0.91 METTL3 (0.45) METTL3GSK3BPIM1LMNAKDM4C
SCHEMBL1301823 0.91 METTL3 (0.45) METTL3GSK3BPIM1LMNAKDM4C
SCHEMBL1301311 0.91 METTL3 (0.45) METTL3JAK2JAK3GSK3BPIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885JAK2 4141/4885JAK1 3425/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885JAK2 4141/4885JAK1 3425/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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